5-chloranyl-N-[1-oxidanylidene-2-[[3-[(pyridin-4-ylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[1-oxidanylidene-2-[[3-[(pyridin-4-ylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[1-oxo-2-[[3-[(4-pyridylamino)methyl]phenyl]methyl]isoindolin-4-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[1-oxo-2-[[3-[(pyridin-4-ylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[1-oxo-2-[[3-[(pyridin-4-ylamino)methyl]phenyl]methyl]-3H-isoindol-4-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[1-keto-2-[3-[(4-pyridylamino)methyl]benzyl]isoindolin-4-yl]thiophene-2-carboxamide Formula: C26H21ClN4O2S MolecularWeight: 488.98854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2NC(=O)C3=CC=C(S3)Cl)C(=O)N1CC4=CC(=CC=C4)CNC5=CC=NC=C5

Isomeric SMILES

C1C2=C(C=CC=C2NC(=O)C3=CC=C(S3)Cl)C(=O)N1CC4=CC(=CC=C4)CNC5=CC=NC=C5

InChI

InChI=1S/C26H21ClN4O2S/c27-24-8-7-23(34-24)25(32)30-22-6-2-5-20-21(22)16-31(26(20)33)15-18-4-1-3-17(13-18)14-29-19-9-11-28-12-10-19/h1-13H,14-16H2,(H,28,29)(H,30,32)